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37073-15-7 | 1-(Methylsulfonyl)-1H-benzo[d][1,2,3]triazole
CAS No: 37073-15-7 Catalog No: AG003D3M MDL No:MFCD00595638
Product Description
Catalog Number:
AG003D3M
Chemical Name:
1-(Methylsulfonyl)-1H-benzo[d][1,2,3]triazole
CAS Number:
37073-15-7
Molecular Formula:
C7H7N3O2S
Molecular Weight:
197.2144
MDL Number:
MFCD00595638
IUPAC Name:
1-methylsulfonylbenzotriazole
InChI:
InChI=1S/C7H7N3O2S/c1-13(11,12)10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
InChI Key:
OMMZSDGGKVRGGP-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)n1nnc2c1cccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| 1-Methane-sulfonyl-1H-1,2,3-benzotriazole. | Acta crystallographica. Section E, Structure reports online 20101101 |
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